3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one

C19H28N2O2 — CID 122255705

IUPAC3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C19H28N2O2/c22-19(9-8-16-5-2-1-3-6-16)21-14-4-7-18(15-21)23-17-10-12-20-13-11-17/h10-13,16,18H,1-9,14-15H2
InChIKeyBVYKMTTZFIIBHA-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.81
Rot. Bonds5

About 3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one

3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one (PubChem CID 122255705) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one
PubChem CID122255705
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C19H28N2O2/c22-19(9-8-16-5-2-1-3-6-16)21-14-4-7-18(15-21)23-17-10-12-20-13-11-17/h10-13,16,18H,1-9,14-15H2
InChIKeyBVYKMTTZFIIBHA-UHFFFAOYSA-N
XLogP3.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
CID 122255870
3-cyclopentyl-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]propan-1-one
CID 122267406
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255770
2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255775
2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255928
2-(2,4-difluorophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255916
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326
2-(4-propan-2-ylsulfonylphenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 119100727
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one (CID 122255705) is 3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one is O=C(CCC1CCCCC1)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of 3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one?
The InChIKey is BVYKMTTZFIIBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(9-8-16-5-2-1-3-6-16)21-14-4-7-18(15-21)23-17-10-12-20-13-11-17/h10-13,16,18H,1-9,14-15H2.
What are the key properties of 3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one?
3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one has a molecular weight of 316.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 122255705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).